4-phenyl-5-[[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]methyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-phenyl-5-[[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-phenyl-5-[[[4-(1-piperidylsulfonyl)benzoyl]amino]methyl]-1,2,4-triazole-3-thiolate CAS Name: 5-[[[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]amino]methyl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-phenyl-5-[[(4-piperidin-1-ylsulfonylbenzoyl)amino]methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-phenyl-5-[[(4-piperidinosulfonylbenzoyl)amino]methyl]-1,2,4-triazole-3-thiolate Formula: C21H22N5O3S2- MolecularWeight: 456.56108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NN=C(N3C4=CC=CC=C4)[S-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NN=C(N3C4=CC=CC=C4)[S-]

InChI

InChI=1S/C21H23N5O3S2/c27-20(22-15-19-23-24-21(30)26(19)17-7-3-1-4-8-17)16-9-11-18(12-10-16)31(28,29)25-13-5-2-6-14-25/h1,3-4,7-12H,2,5-6,13-15H2,(H,22,27)(H,24,30)/p-1